Implementation of the Gaussian-type geminals basis set into multiconfigurational perturbation theory

Implementation of the Gaussian-type geminals basis set into multiconfigurational perturbation theory

Robert Polly (ORCID: )

Disciplines

Chemistry (100%)

Keywords

    AB-INITIO BERECHNUNGEN, CASPT2, GAUSSIAN TYPE GEMINALS (GTG)

Research institution(s)

Research Output

  • 15 Citations
  • 1 Publications
Publications
  • 1999
    Title Calculations of the Absorption Spectrum of Chromone
    DOI 10.1021/jp992357z
    Type Journal Article
    Author Polly R
    Journal The Journal of Physical Chemistry A
    Pages 10343-10347